1,2,3,4-tetrachloro-5,6-dimethylbenzene

C8H6Cl4 — CID 522883

IUPAC1,2,3,4-tetrachloro-5,6-dimethylbenzene
SMILESCc1c(C)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C8H6Cl4/c1-3-4(2)6(10)8(12)7(11)5(3)9/h1-2H3
InChIKeySCOSFGXUBLANNC-UHFFFAOYSA-N
MW243.95 g/mol
LogP4.92
Rot. Bonds

About 1,2,3,4-tetrachloro-5,6-dimethylbenzene

1,2,3,4-tetrachloro-5,6-dimethylbenzene (PubChem CID 522883) has the molecular formula C8H6Cl4 and a molecular weight of 243.95 g/mol. Its IUPAC name is 1,2,3,4-tetrachloro-5,6-dimethylbenzene.

Molecular Properties

Compound Name1,2,3,4-tetrachloro-5,6-dimethylbenzene
PubChem CID522883
Molecular FormulaC8H6Cl4
Molecular Weight243.95 g/mol
Exact Mass241.92
IUPAC Name1,2,3,4-tetrachloro-5,6-dimethylbenzene
SMILESCc1c(C)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C8H6Cl4/c1-3-4(2)6(10)8(12)7(11)5(3)9/h1-2H3
InChIKeySCOSFGXUBLANNC-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.95
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1,2,3,4-tetrachloro-5,6-dimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrachloro-5,6-dimethylbenzene?
The IUPAC name of 1,2,3,4-tetrachloro-5,6-dimethylbenzene (CID 522883) is 1,2,3,4-tetrachloro-5,6-dimethylbenzene.
What is the SMILES notation for 1,2,3,4-tetrachloro-5,6-dimethylbenzene?
The canonical SMILES for 1,2,3,4-tetrachloro-5,6-dimethylbenzene is Cc1c(C)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 1,2,3,4-tetrachloro-5,6-dimethylbenzene?
The InChIKey is SCOSFGXUBLANNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl4/c1-3-4(2)6(10)8(12)7(11)5(3)9/h1-2H3.
What are the key properties of 1,2,3,4-tetrachloro-5,6-dimethylbenzene?
1,2,3,4-tetrachloro-5,6-dimethylbenzene has a molecular weight of 243.95 g/mol, XLogP of 4.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrachloro-5,6-dimethylbenzene is sourced from PubChem (CID 522883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).